1,2,3-BENZOTRIAZIN-4(3H)-ONE
- Product Name1,2,3-BENZOTRIAZIN-4(3H)-ONE
- CAS90-16-4
- MFC7H5N3O
- MW147.13
- EINECS201-971-5
- MOL File90-16-4.mol
Chemical Properties
| Melting point | 216-218 °C (lit.) |
| Boiling point | 282℃ |
| Density | 1.47 |
| refractive index | 1.5500 (estimate) |
| Flash point | 125℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in most organic solvents. |
| pka | -4.67±0.20(Predicted) |
| form | Solid |
| color | Needles from cyclohexane |
| BRN | 124996 |
| InChI | InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11) |
| InChIKey | DMSSTTLDFWKBSX-UHFFFAOYSA-N |
| SMILES | N1C2=CC=CC=C2C(=O)NN=1 |
| CAS DataBase Reference | 90-16-4(CAS DataBase Reference) |
| EPA Substance Registry System | 1,2,3-Benzotriazin-4(1H)-one (90-16-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | DM0800000 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 2933698090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 90-16-4(Hazardous Substances Data) |
| Toxicity | LD50 ipr-mus: 50 mg/kg NTIS** AD277-689 |
